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Chemical ID: 4158162
Chemical ID:
4158162
Name [?]:
2-(2-ethylphenoxy)-N-phenethyl-acetamide
SMILES [?]:
CCc1ccccc1OCC(=O)NCCc2ccccc2
InChi [?]:
InChI=1/C18H21NO2/c1-2-16-10-6-7-11-17(16)21-14-18(20)19-13-12-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,19,18,20,5,6,17,21,4,7,15,14,10,16,3,8,11,13,12,9/E:(4,5)(8,9)/rA:21nCCCCCCCCOCCONCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;d11;s11;s13;s14;s15;s16;d17;s18;d19;d16s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21NO2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.15682 |
Area: | 524.482 |
Solvation: | -3.95524 |
Coulombic: | -31.0332 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 283.365 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.67 |
LogP (Chemaxon): | 3.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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